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pair_oxdna2_excv.h
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Fri, Sep 20, 16:09

pair_oxdna2_excv.h
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/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
Contributing author: Oliver Henrich (EPCC, University of Edinburgh)
------------------------------------------------------------------------- */
#ifdef PAIR_CLASS
PairStyle(oxdna2/excv,PairOxdna2Excv)
#else
#ifndef LMP_PAIR_OXDNA2_EXCV_H
#define LMP_PAIR_OXDNA2_EXCV_H
#include "pair_oxdna_excv.h"
namespace LAMMPS_NS {
class PairOxdna2Excv : public PairOxdnaExcv {
public:
PairOxdna2Excv(class LAMMPS *);
virtual ~PairOxdna2Excv();
virtual void compute_interaction_sites(double *,
double *, double *, double *);
};
}
#endif
#endif
/* ERROR/WARNING messages:
E: Illegal ... command
Self-explanatory. Check the input script syntax and compare to the
documentation for the command. You can use -echo screen as a
command-line option when running LAMMPS to see the offending line.
E: Incorrect args for pair coefficients
Self-explanatory. Check the input script or data file.
*/

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